HMDB0302362 RDKit 3D Supinine 45 46 0 0 0 0 0 0 0 0999 V2000 -1.9708 -1.4791 -1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8222 -0.4290 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2472 -0.9700 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 -0.3171 0.7093 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5685 -1.5659 1.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 0.0221 0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 -0.7817 1.3693 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3975 1.1838 0.3446 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 1.6583 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 0.9275 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5988 1.5157 -1.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5642 0.5954 -2.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 -0.6069 -1.2717 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6934 -0.9951 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -0.7533 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 -0.7457 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 -0.4367 -0.3087 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2376 0.6698 1.4808 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0827 2.0819 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5833 0.3219 1.4301 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 -2.4353 -0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4136 -1.6604 -2.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9428 -1.0907 -1.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 0.4915 -1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9551 -0.1295 -0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4642 -1.6099 0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 -1.6020 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7218 -2.0485 1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8269 2.7465 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 1.7674 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4696 2.5460 -1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5843 1.0168 -2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2204 0.4007 -3.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -0.5157 -1.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 -2.1050 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 0.2112 1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9971 -1.5548 1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 0.0306 1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6311 -1.7270 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6534 -1.1566 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9265 0.6296 2.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 2.0759 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0479 2.6439 1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3974 2.6275 1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 0.5520 2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 1 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 4 18 1 0 18 19 1 0 18 20 1 0 17 10 1 0 17 13 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 5 28 1 0 9 29 1 0 9 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 17 40 1 6 18 41 1 1 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 M END